(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol

C13H20O2 — CID 97293367

IUPAC(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
SMILESCCC[C@H](O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-6-12(14)11-7-9(2)13(15-4)10(3)8-11/h7-8,12,14H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyFEYWMWWQOQAQGC-LBPRGKRZSA-N
MW208.30 g/mol
LogP3.15
Rot. Bonds4

About (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol

(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol (PubChem CID 97293367) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
PubChem CID97293367
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
SMILESCCC[C@H](O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-6-12(14)11-7-9(2)13(15-4)10(3)8-11/h7-8,12,14H,5-6H2,1-4H3/t12-/m0/s1
InChIKeyFEYWMWWQOQAQGC-LBPRGKRZSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 112518901
5-(1-bromobutyl)-2-methoxy-1,3-dimethylbenzene
CID 83067846
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
CID 97293385
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
CID 130560260
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
The IUPAC name of (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol (CID 97293367) is (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol is CCC[C@H](O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
The InChIKey is FEYWMWWQOQAQGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-6-12(14)11-7-9(2)13(15-4)10(3)8-11/h7-8,12,14H,5-6H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol?
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 97293367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).